schrodinger
There are 2 repositories under schrodinger topic.
Azercoco / Python-2D-Simulation-of-Schrodinger-Equation
Une simulation de l'évolution d'un paquet d'onde gaussien
Language:Python 48c0rychu / SchrodingerEq_1D_tutorial
Solving Schrodinger Equation Numerically
Language:Jupyter Notebook 38- Language:Python 27
- Q_Schrodinger2D_demo
LaurentNevou / Q_Schrodinger2D_demo
2D Time independent Schroedinger equation solver
Language:MATLAB 27 - Q_SchrodingerPoisson1D_demo
Schrodinger-Poisson solver in 1D demonstrator
Language:MATLAB 23 ericchansen / q2mm
Quantum to Molecular Mechanics (Q2MM)
Language:Python 22artmenlope / double-slit-2d-schrodinger
This repository contains Python 3 scripts for simulating the passage of a 2D Gaussian wave packet through a double slit. For this, the 2D Schrödinger equation is solved using the Crank-Nicolson numerical method.
Language:Python 18rebelot / schrodinger_utils
Various integrations to the Schrodinger ecosystem. With major interest on analysis tools for Molecular Dynamics simulations run with Desmond.
Language:Python 17Computes the electronic band structure of Zinc Blende semiconductor
Language:MATLAB 15Computes the electronic band structure of bulk ZB semiconductor with k.p models WITH STRAIN
Language:MATLAB 15mlxd / GPUE
GPU Gross-Pitaevskii Equation numerical solver for rapidly rotating Bose-Einstein condensates. Further development and maintenance from https://github.com/GPUE-group/GPUE
Language:C++ 15Computes the electronic band structure of bulk ZB semiconductor with various k.p models
Language:MATLAB 143D Time independent Schroedinger equation solver
Language:MATLAB 141D Time independent Schroedinger equation solver
Language:MATLAB 13espottesmith / MPcat
An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution of Jaguar and AutoTS calculations for molecular thermodynamics and kinetics.
Language:Python 12SchifferLab / ROBUST
Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.
Language:Python 12aromanro / Scattering
Scattering on a Lennard-Jones potential, cross-section computation.
Language:C++ 11- Q_Schrodinger1D_1band
1D Schroedinger solver in semiconductor with effective mass
Language:MATLAB 11 1D Schroedinger solver in semiconductor with non-parabolicity
Language:MATLAB 10quantaosun / Zinc-Million
Open-Sourced. Millions of small molecules will be downloaded from the ZINC database in 3D SDF file format, with one click, to get ready for a large scale virtual screening for certain protein target.
Language:Jupyter Notebook 9RedPointyJackson / Brooglie
Solve the N-D time-independent Schrödinger equation for a single particle.
Language:Julia 9- Language:Python 8
catseye / Schroedingers-Game-of-Life
MIRROR of https://codeberg.org/catseye/Schroedingers-Game-of-Life : Conway's Game of Life meets Schrödinger's Cat
Language:JavaScript 7Computes the electronic band structure of bulk Wurtzite semiconductors
Language:MATLAB 7Schrodinger-Poisson solver in 1D in the conduction band
Language:MATLAB 7izlotnik / schrodinger-dtbc
:rocket: Solve the time-dependent Schrodinger equation in unbounded domain
Language:MATLAB 61D Schroedinger solver in semiconductor with non-parabolicity in Zinc-Blende
Language:MATLAB 6- Q_SchrodingerPoisson1D_Dirichlet_demo
Schrodinger-Poisson solver with Dirichlet boundary condition
Language:MATLAB 6 - Language:Python 6
yasminshamsudin / schrodinger
Schrodinger molecular modeling suite - tutorials and scripts
Language:Shell 6Computes and plot the electrons distribution in the ZB Brillouin zone
Language:MATLAB 52D time independent Schroedinger equation solver on inhomogeneous grid
Language:MATLAB 5- Language:Python 5
- 2040FBDBIC
UAMCAntwerpen / 2040FBDBIC
This repository contains all the course materials that are used in the "Chemo-informatics and computational drug design" course teaches at the University of Antwerp (Belgium)
Language:Jupyter Notebook 5 1D Schrodinger solver with effective mass on NON-REGULAR GRID
Language:MATLAB 4rcarcasses / schrodinger
Solves one dimensional Schrodinger problem using several methods.
Language:C++ 3
